N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide

C30H30N6O3 — CID 10142845

IUPACN-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3nc(NC(C)=O)[nH]c3c2)c2ccccc12
InChIInChI=1S/C30H30N6O3/c1-17(37)32-28-33-25-14-18(16-31-27(25)36-28)20-11-12-23(22-9-7-6-8-21(20)22)34-29(38)35-24-15-19(30(2,3)4)10-13-26(24)39-5/h6-16H,1-5H3,(H2,34,35,38)(H2,31,32,33,36,37)
InChIKeyHBYZOJIEJJYVFM-UHFFFAOYSA-N
MW522.61 g/mol
LogP6.69
Rot. Bonds5

About N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide

N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide (PubChem CID 10142845) has the molecular formula C30H30N6O3 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide
PubChem CID10142845
Molecular FormulaC30H30N6O3
Molecular Weight522.61 g/mol
Exact Mass522.24
IUPAC NameN-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3nc(NC(C)=O)[nH]c3c2)c2ccccc12
InChIInChI=1S/C30H30N6O3/c1-17(37)32-28-33-25-14-18(16-31-27(25)36-28)20-11-12-23(22-9-7-6-8-21(20)22)34-29(38)35-24-15-19(30(2,3)4)10-13-26(24)39-5/h6-16H,1-5H3,(H2,34,35,38)(H2,31,32,33,36,37)
InChIKeyHBYZOJIEJJYVFM-UHFFFAOYSA-N
XLogP6.69
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[2-(diethylaminomethyl)-1H-imidazo[4,5-b]pyridin-6-yl]naphthalen-1-yl]urea
CID 10120074
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)naphthalen-1-yl]urea
CID 10185154
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(2,6-dimethylpiperidin-1-yl)methyl]-3-pyridinyl]naphthalen-1-yl]urea
CID 22217900
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]naphthalen-1-yl]urea
CID 10210852
4-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]oxypyrimidine-2-carboxylic acid
CID 22573873
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10298895
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[2-(dimethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 10184638
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[(3Z,5Z)-10-methyl-9-methylidene-7,8-dihydro-2H-1,3,8-oxadiazecin-5-yl]naphthalen-1-yl]urea
CID 142235398
4-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 22217980
3-[[5-[4-[(5-tert-butyl-2-methylphenyl)carbamoylamino]naphthalen-1-yl]-2-pyridinyl]amino]propyl N-(5-tert-butyl-2-methylphenyl)carbamate
CID 10233504
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
1-(5-tert-butyl-2,3-dimethoxyphenyl)-3-[4-[(2-methoxy-4-pyridinyl)oxy]naphthalen-1-yl]urea
CID 10278706

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide (CID 10142845) is N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide is COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3nc(NC(C)=O)[nH]c3c2)c2ccccc12.
What is the InChIKey of N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide?
The InChIKey is HBYZOJIEJJYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3/c1-17(37)32-28-33-25-14-18(16-31-27(25)36-28)20-11-12-23(22-9-7-6-8-21(20)22)34-29(38)35-24-15-19(30(2,3)4)10-13-26(24)39-5/h6-16H,1-5H3,(H2,34,35,38)(H2,31,32,33,36,37).
What are the key properties of N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide?
N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide has a molecular weight of 522.61 g/mol, XLogP of 6.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 10142845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).